Reaction Details Report a problem with these data
Target
Prolyl endopeptidase
Ligand
BDBM50135633
Substrate
n/a
Meas. Tech.
ChEMBL_157490 (CHEMBL765807)
Ki
3.30±n/a nM
Citation
 Bal, G; Van der Veken, P; Antonov, D; Lambeir, AM; Grellier, P; Croft, SL; Augustyns, K; Haemers, A Prolylisoxazoles: potent inhibitors of prolyloligopeptidase with antitrypanosomal activity. Bioorg Med Chem Lett 13:2875-8 (2003) [PubMed]  Article 
Target
Name:
Prolyl endopeptidase
Synonyms:
PE | PEP | POP | PPCE_HUMAN | PREP | Post-proline cleaving enzyme | Prolyl oligopeptidase
Type:
Enzyme
Mol. Mass.:
80688.50
Organism:
Homo sapiens (Human)
Description:
P48147
Residue:
710
Sequence:
MLSLQYPDVYRDETAVQDYHGHKICDPYAWLEDPDSEQTKAFVEAQNKITVPFLEQCPIRGLYKERMTELYDYPKYSCHFKKGKRYFYFYNTGLQNQRVLYVQDSLEGEARVFLDPNILSDDGTVALRGYAFSEDGEYFAYGLSASGSDWVTIKFMKVDGAKELPDVLERVKFSCMAWTHDGKGMFYNSYPQQDGKSDGTETSTNLHQKLYYHVLGTDQSEDILCAEFPDEPKWMGGAELSDDGRYVLLSIREGCDPVNRLWYCDLQQESSGIAGILKWVKLIDNFEGEYDYVTNEGTVFTFKTNRQSPNYRVINIDFRDPEESKWKVLVPEHEKDVLEWIACVRSNFLVLCYLHDVKNILQLHDLTTGALLKTFPLDVGSIVGYSGQKKDTEIFYQFTSFLSPGIIYHCDLTKEELEPRVFREVTVKGIDASDYQTVQIFYPSKDGTKIPMFIVHKKGIKLDGSHPAFLYGYGGFNISITPNYSVSRLIFVRHMGGILAVANIRGGGEYGETWHKGGILANKQNCFDDFQCAAEYLIKEGYTSPKRLTINGGSNGGLLVAACANQRPDLFGCVIAQVGVMDMLKFHKYTIGHAWTTDYGCSDSKQHFEWLVKYSPLHNVKLPEADDIQYPSMLLLTADHDDRVVPLHSLKFIATLQYIVGRSRKQSNPLLIHVDTKAGHGAGKPTAKVIEEVSDMFAFIARCLNVDWIP
  
Inhibitor
Name:
BDBM50135633
Synonyms:
(S)-2-[(S)-2-(5-Benzyloxymethyl-isoxazole-3-carbonyl)-pyrrolidine-1-carbonyl]-pyrrolidine-1-carboxylic acid benzyl ester | (S)-benzyl 2-((S)-2-(5-(benzyloxymethyl)isoxazole-3-carbonyl)pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate | CHEMBL318284
Type:
Small organic molecule
Emp. Form.:
C29H31N3O6
Mol. Mass.:
517.5729
SMILES:
O=C(OCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)c1cc(COCc2ccccc2)on1
Structure:
Search PDB for entries with ligand similarity: